2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine

C14H21N5 — CID 112651573

IUPAC2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCc1cccnc1Cn1cc(CNCC(C)C)nn1
InChIInChI=1S/C14H21N5/c1-11(2)7-15-8-13-9-19(18-17-13)10-14-12(3)5-4-6-16-14/h4-6,9,11,15H,7-8,10H2,1-3H3
InChIKeyRSSJRGODGHCKHI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.78
Rot. Bonds6

About 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 112651573) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID112651573
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCc1cccnc1Cn1cc(CNCC(C)C)nn1
InChIInChI=1S/C14H21N5/c1-11(2)7-15-8-13-9-19(18-17-13)10-14-12(3)5-4-6-16-14/h4-6,9,11,15H,7-8,10H2,1-3H3
InChIKeyRSSJRGODGHCKHI-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193246
N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191718
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 115982265
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441
N-[[1-[(3-bromothiophen-2-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66193266
2-methyl-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194216
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
2-methyl-N-[[1-[(3-nitrophenyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192281
2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
CID 66207060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine (CID 112651573) is 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine is Cc1cccnc1Cn1cc(CNCC(C)C)nn1.
What is the InChIKey of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is RSSJRGODGHCKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)7-15-8-13-9-19(18-17-13)10-14-12(3)5-4-6-16-14/h4-6,9,11,15H,7-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 112651573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).